CID 15166172

60758-41-0

Structural Information

Molecular Formula

C₄H₄N₂S₂

SMILES

C1=CSC(=N1)C(=S)N

InChI

InChI=1S/C4H4N2S2/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7)

InChIKey

XDORZTKINJTHOT-UHFFFAOYSA-N

Compound name

1,3-thiazole-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 143.9816 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.98888	124.4
[M+Na]+	166.97082	134.0
[M-H]-	142.97432	126.8
[M+NH4]+	162.01542	146.5
[M+K]+	182.94476	130.5
[M+H-H2O]+	126.97886	118.9
[M+HCOO]-	188.97980	138.4
[M+CH3COO]-	202.99545	172.0
[M+Na-2H]-	164.95627	125.0
[M]+	143.98105	123.9
[M]-	143.98215	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe